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CHEBI:224067 - 3beta,11alpha-diacetoxy-13beta-hydroxyolean-12-one

Default Structure
ChEBI IDCHEBI:224067
ChEBI Name3beta,11alpha-diacetoxy-13beta-hydroxyolean-12-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O6
Net Charge0
Average Mass558.800
Monoisotopic Mass558.39204
SMILESCC(=O)O[C@@H]1C(=O)[C@]2(O)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@@H]12
InChIInChI=1S/C34H54O6/c1-20(35)39-24-12-13-31(8)22(29(24,5)6)11-14-32(9)26(31)25(40-21(2)36)27(37)34(38)23-19-28(3,4)15-16-30(23,7)17-18-33(32,34)10/h22-26,38H,11-19H2,1-10H3/t22-,23+,24-,25-,26+,30+,31-,32+,33-,34+/m0/s1
InChIKeyDSICOADBIKAGSE-DPJQMALGSA-N
Species of MetaboliteComponentSourceComments
Polyspora ceylanica (ncbitaxon:2945176) - PubMed (11014273)
ChEBI Ontology
Outgoing Relation(s)
3beta,11alpha-diacetoxy-13beta-hydroxyolean-12-one (CHEBI:224067) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,4aR,6aR,6aS,6bS,8aR,12aR,14S,14aR,14bS)-14-acetyloxy-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
Manual XrefsDatabases
78439814ChemSpider